12/5/2023 0 Comments Mose2 lattice constantRead more about how to correctly acknowledge RSC content. Permission is not required) please go to the Copyright If you want to reproduce the wholeĪrticle in a third-party commercial publication (excluding your thesis/dissertation for which If you are the author of this article, you do not need to request permission to reproduce figuresĪnd diagrams provided correct acknowledgement is given. Provided correct acknowledgement is given. If you are an author contributing to an RSC publication, you do not need to request permission Please go to the Copyright Clearance Center request page. To request permission to reproduce material from this article in a commercial publication, Provided that the correct acknowledgement is given and it is not used for commercial purposes. Then, 1 from the integration is adjusted to the obtained 1 in step 2 via changing the constant. This article in other publications, without requesting further permission from the RSC, Son,Ĭreative Commons Attribution-NonCommercial 3.0 Unported Licence. Importantly, new peaks in the optical spectrum of the clean MoS 2 and MoS 2/PEI appear in the ultraviolet region under compressive pressures and the infrared region under tensile strains.Įlectronic and optical properties of monolayer MoS 2 under the influence of polyethyleneimine adsorption and pressure The bandgap of these systems approaches 0 eV at the corresponding pressures. For 3R-MoS 2 polytype, the experimental lattice parameters are a 3.163 Å, b 3.163 Å, and c 18.370 Å, and the space group is (C 3 v) R3M (160. The structures of 3R- and 2H-MoS 2 are shown in Fig. Remarkably, the transition from semiconductor to metal of the monolayer MoS 2 and the MoS 2/PEI system occurs at the tensile pressure of 24.95 and 21.79 GPa, respectively. The initial lattice parameters for 3R- and 2H- polytypes of MoS 2 were obtained from the x-ray data provided by Schönfeld et al. The results showed that the adsorption of the PEI molecule significantly reduces the width of the direct bandgap of the monolayer MoS 2 to 0.55 eV because of the occurrence of the new energy levels in the bandgap region due to the contribution of the N-2p z state of the PEI molecule. Therefore, we elucidated this matter by using density functional theory calculations. However, the effects of polyethyleneimine and pressure on the electronic and optical properties of monolayer MoS 2 remain unknown. Furthermore, the application of pressure is also an effective method to modify the physical properties of MoS 2. This problem has been solved by coating MoS 2 with polymers such as polyethyleneimine (PEI). Unfortunately, MoS 2 is sensitive to gases in the environment causing its original electronic properties to be modified unexpectedly. The moderate bandgap of monolayer MoS 2 is fascinating for the new generation of optoelectronic devices. MoS 2 is one of the well-known transition metal dichalcogenides.
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